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canSAR1012356
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NAMES
    SMILES
    Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)C1CCCN(c2cccc(C(=O)O)c2)C1
    InChI
    InChI=1S/C24H24ClN3O3S/c1-15-21(32-22(26-15)16-8-10-18(25)11-9-16)23(29)27(2)20-7-4-12-28(14-20)19-6-3-5-17(13-19)24(30)31/h3,5-6,8-11,13,20H,4,7,12,14H2,1-2H3,(H,30,31)
    MOLECULAR FORMULA
    C24H24ClN3O3S
    CROSS REFERENCES
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    canSAR1012356

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.12
    AlogP 5.21
    HBond donors 1
    HBond acceptors 6
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1012356.